Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.27E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SRI International Curated by ChEMBL | Assay Description Compound was tested for the competitive inhibition of phosphorylation of Eel acetylcholinesterase (AChE) | J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.85E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
SRI International Curated by ChEMBL | Assay Description Inhibition of eel acetylcholinesterase (AChE) activity by 50% | J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Reversible inhibition of Human AchE | J Med Chem 29: 1689-96 (1986) BindingDB Entry DOI: 10.7270/Q2TH8N8Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Bos taurus (bovine)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.46E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
SRI International Curated by ChEMBL | Assay Description Inhibition of acetylcholinesterase (AChE) in bovine erythrocyte(RBC) | J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.66E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
SRI International Curated by ChEMBL | Assay Description In vitro concentration of compound required for reversibly inhibiting 50% of human anticholinesterase activity | J Med Chem 34: 1363-8 (1991) BindingDB Entry DOI: 10.7270/Q2V40VSD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.66E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
SRI International Curated by ChEMBL | Assay Description Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC). | J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.66E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
SRI International Curated by ChEMBL | Assay Description Reversible inhibition of acetylcholinesterase(AChE) by 50 % in human erythrocytes | J Med Chem 32: 504-16 (1989) BindingDB Entry DOI: 10.7270/Q2W9586P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro reversible inhibition of eel acetylcholinesterase. | J Med Chem 29: 2174-83 (1986) BindingDB Entry DOI: 10.7270/Q2VQ31QK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.78E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE by modified Ellman's method | Bioorg Med Chem 19: 754-62 (2011) Article DOI: 10.1016/j.bmc.2010.12.021 BindingDB Entry DOI: 10.7270/Q2P2703H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.78E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE | Bioorg Med Chem Lett 21: 150-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.96E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human AChE assessed as decrease in enzyme activity incubated for 30 mins by Ellman's method | Citation and Details Article DOI: 10.1016/j.ejmech.2021.113286 BindingDB Entry DOI: 10.7270/Q2ZP49VN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro reversible inhibition of eel acetylcholinesterase. | J Med Chem 29: 2174-83 (1986) BindingDB Entry DOI: 10.7270/Q2VQ31QK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.19E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Defence Research & Development Establishment (DRDE) Curated by ChEMBL | Assay Description Inhibition of hemoglobin free human erythrocyte ghost acetylcholinesterase using acetylthiocholineiodide as substrate measured up to 1 hr by Ellman m... | Bioorg Med Chem 22: 2684-91 (2014) Article DOI: 10.1016/j.bmc.2014.03.023 BindingDB Entry DOI: 10.7270/Q2BC413S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.21E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Defence Research& Development Establishment Curated by ChEMBL | Assay Description Inhibition of hemoglobin free erythrocyte ghost human AChE using acetylcholine iodide as substrate measured for 1 hr by spectrophotometry based Ellma... | Bioorg Med Chem 24: 4171-4176 (2016) Article DOI: 10.1016/j.bmc.2016.07.005 BindingDB Entry DOI: 10.7270/Q25D8TSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 2.81E+4 | n/a | n/a | n/a | n/a | n/a |
TNO Curated by ChEMBL | Assay Description Reactivation of VX inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate addi... | J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 7.06E+5 | n/a | n/a | n/a | n/a | n/a |
TNO Curated by ChEMBL | Assay Description Reactivation of tabun inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a... | J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 3.16E+6 | n/a | n/a | n/a | n/a | n/a |
TNO Curated by ChEMBL | Assay Description Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr... | J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 2.76E+4 | n/a | n/a | n/a | n/a | n/a |
TNO Curated by ChEMBL | Assay Description Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a... | J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 2.57E+4 | n/a | n/a | n/a | n/a | n/a |
Defence Research& Development Establishment Curated by ChEMBL | Assay Description Binding affinity to sarin-inhibited hemoglobin free erythrocyte ghost human AChE using acetylcholine iodide as substrate measured for 1 hr by spectro... | Bioorg Med Chem 24: 4171-4176 (2016) Article DOI: 10.1016/j.bmc.2016.07.005 BindingDB Entry DOI: 10.7270/Q25D8TSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 3.14E+4 | n/a | n/a | n/a | n/a | n/a |
Defence Research& Development Establishment Curated by ChEMBL | Assay Description Binding affinity to VX-inhibited hemoglobin free erythrocyte ghost human AChE using acetylcholine iodide as substrate measured for 1 hr by spectropho... | Bioorg Med Chem 24: 4171-4176 (2016) Article DOI: 10.1016/j.bmc.2016.07.005 BindingDB Entry DOI: 10.7270/Q25D8TSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 2.88E+4 | n/a | n/a | n/a | n/a | n/a |
Defence Research & Development Establishment (DRDE) Curated by ChEMBL | Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye ... | Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 3.47E+4 | n/a | n/a | n/a | n/a | n/a |
Defence Research & Development Establishment (DRDE) Curated by ChEMBL | Assay Description Reactivation of O-ethylsarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DT... | Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.78E+4 | n/a | n/a | n/a | n/a | n/a |
Defence Research & Development Establishment (DRDE) Curated by ChEMBL | Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas... | Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 3.14E+4 | n/a | n/a | n/a | n/a | n/a |
Defence Research & Development Establishment (DRDE) Curated by ChEMBL | Assay Description Binding affinity to VX-inhibited hemoglobin free human erythrocyte ghost acetylcholinesterase using acetylthiocholineiodide as substrate measured up ... | Bioorg Med Chem 22: 2684-91 (2014) Article DOI: 10.1016/j.bmc.2014.03.023 BindingDB Entry DOI: 10.7270/Q2BC413S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 2.57E+4 | n/a | n/a | n/a | n/a | n/a |
Defence Research & Development Establishment (DRDE) Curated by ChEMBL | Assay Description Binding affinity to sarin-inhibited hemoglobin free human erythrocyte ghost acetylcholinesterase using acetylthiocholineiodide as substrate measured ... | Bioorg Med Chem 22: 2684-91 (2014) Article DOI: 10.1016/j.bmc.2014.03.023 BindingDB Entry DOI: 10.7270/Q2BC413S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 2.15E+5 | n/a | n/a | n/a | n/a | n/a |
Universit£ de Strasbourg Curated by ChEMBL | Assay Description Reactivation of methylphosphonothioate VX-inhibited recombinant human AChE measured up to 10 mins by Ellman's method | Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Rattus norvegicus (rat)) | BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 2.10E+5 | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Binding affinity to AChE in rat brain homogenate | J Med Chem 54: 3319-30 (2011) Article DOI: 10.1021/jm200054r BindingDB Entry DOI: 10.7270/Q25D8S9W | |||||||||||
More data for this Ligand-Target Pair |